(1R,4R,5R)-1,4,5-Trihydroxy-3-[(2-Methyl-2-Propanyl)Carbamoyl]-2-Cyclohexene-1-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C12H19NO6 |
| IUPAC Name | (1r,4r,5r)-3-(tert-butylcarbamoyl)-1,4,5-trihydroxy-cyclohex-2-ene-1-carboxylic acid |
| Molecular Mass | 273.282 g·mol−1 |
| Heat of Formation | -1173.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.47 ± 1.08 D |
| Volume | 318.12 Å 3 |
| Surface Area | 284.77 Å 2 |
| HOMO Energy | -10.17 ± 0.55 eV |
| LUMO Energy | 2.20 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BDNCEUNKGWSSTP-RWYTXXIDSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |